N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H29N5O4S2 MolecularWeight: 467.60536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H29N5O4S2/c1-4-29-16-9-8-15(12-17(16)31(27,28)25-10-6-5-7-11-25)21-18(26)13-30-20-22-19(14(2)3)23-24-20/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,21,26)(H,22,23,24)